pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	IUPAC digitized pKa	1	0	CCc1c[nH+]nc(C)c1,CCc1cn[nH+]c(C)c1	CCc1cnnc(C)c1	mol4035	CCc1cnnc(C)c1
4.1700001	OCHEM	1	0	CCc1c[nH+]nc(C)c1,CCc1cn[nH+]c(C)c1	CCc1cnnc(C)c1	mol4035	CCc1cnnc(C)c1
4.17000007629395	QSARToolbox	1	0	CCc1c[nH+]nc(C)c1,CCc1cn[nH+]c(C)c1	CCc1cnnc(C)c1	mol4035	CCc1cnnc(C)c1